Information card for entry 2241979

Structure parameters

• Common name: [Cu cyclen](ClO4)2
• Chemical name: (Perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate
• Formula: C8 H20 Cl2 Cu N4 O8
• Calculated formula: C8 H20 Cl2 Cu N4 O8
• SMILES: C1C[NH]2CC[NH]3CC[NH]4CC[NH]1[Cu]234OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: Crystal structure of (perchlorato-κ<i>O</i>)(1,4,7,10-tetraazacyclododecane-κ^4^<i>N</i>)copper(II) perchlorate
• Authors of publication: Gray, Jessica L.; Gerlach, Deidra L.; Papish, Elizabeth T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 1
• Pages of publication: 31 - 34
• a: 8.9387 ± 0.0002 Å
• b: 15.0607 ± 0.0004 Å
• c: 11.9235 ± 0.0003 Å
• α: 90°
• β: 92.949 ± 0.001°
• γ: 90°
• Cell volume: 1603.05 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes